N'-[[2-[[4-(decylamino)butylamino]methyl]cyclopropyl]methyl]-N-ethylbutane-1,4-diamine

C25H54N4 — CID 69170913

IUPACN'-[[2-[[4-(decylamino)butylamino]methyl]cyclopropyl]methyl]-N-ethylbutane-1,4-diamine
SMILESCCCCCCCCCCNCCCCNCC1CC1CNCCCCNCC
InChIInChI=1S/C25H54N4/c1-3-5-6-7-8-9-10-11-17-27-18-13-15-20-29-23-25-21-24(25)22-28-19-14-12-16-26-4-2/h24-29H,3-23H2,1-2H3
InChIKeyAQYNIDKGWXGPIV-UHFFFAOYSA-N
MW410.74 g/mol
LogP4.70
Rot. Bonds24

About N'-[[2-[[4-(decylamino)butylamino]methyl]cyclopropyl]methyl]-N-ethylbutane-1,4-diamine

N'-[[2-[[4-(decylamino)butylamino]methyl]cyclopropyl]methyl]-N-ethylbutane-1,4-diamine (PubChem CID 69170913) has the molecular formula C25H54N4 and a molecular weight of 410.74 g/mol. Its IUPAC name is N'-[[2-[[4-(decylamino)butylamino]methyl]cyclopropyl]methyl]-N-ethylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-[[2-[[4-(decylamino)butylamino]methyl]cyclopropyl]methyl]-N-ethylbutane-1,4-diamine
PubChem CID69170913
Molecular FormulaC25H54N4
Molecular Weight410.74 g/mol
Exact Mass410.43
IUPAC NameN'-[[2-[[4-(decylamino)butylamino]methyl]cyclopropyl]methyl]-N-ethylbutane-1,4-diamine
SMILESCCCCCCCCCCNCCCCNCC1CC1CNCCCCNCC
InChIInChI=1S/C25H54N4/c1-3-5-6-7-8-9-10-11-17-27-18-13-15-20-29-23-25-21-24(25)22-28-19-14-12-16-26-4-2/h24-29H,3-23H2,1-2H3
InChIKeyAQYNIDKGWXGPIV-UHFFFAOYSA-N
XLogP4.70
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds24
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.74
LogP ≤ 54.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N'-[[2-[(heptylamino)methyl]cyclopropyl]methyl]butane-1,4-diamine
CID 71166362
N-ethyl-N'-[[(1R,2R)-2-[[4-[4-[[(1R,2R)-2-[[4-[4-[[(1R,2R)-2-[[4-(ethylamino)butylamino]methyl]cyclopropyl]methylamino]butylamino]butylamino]methyl]cyclopropyl]methylamino]butylamino]butylamino]methyl]cyclopropyl]methyl]butane-1,4-diamine
CID 11073198
N-methyl-N'-[[(2S)-2-[[4-(pentylamino)butylamino]methyl]cyclopropyl]methyl]butane-1,4-diamine
CID 145475457
N-[6-[(1S,2R)-2-[6-(ethylamino)hexyl]cyclopropyl]hexyl]undecan-1-amine
CID 58260275
N'-[[(1S,2S)-2-[[4-(ethylamino)butylamino]methyl]cyclopropyl]methyl]-N-methylbutane-1,4-diamine
CID 71064547
N'-[[2-[[4-(ethylamino)butylamino]methyl]cyclopropyl]methyl]butane-1,4-diamine
CID 23590154
N-ethyl-N'-hexylethane-1,2-diamine
CID 7171940
N-ethyl-N'-octadecylpropane-1,3-diamine
CID 175605866
N-ethyl-N'-hexadecylpropane-1,3-diamine
CID 46736046
N'-butyl-N-ethylnonane-1,9-diamine
CID 138750457
N-ethyltetradecan-1-amine;hydrochloride
CID 174740266
ethane;N-ethylhexan-1-amine
CID 143229911

Frequently Asked Questions

What is the IUPAC name of N'-[[2-[[4-(decylamino)butylamino]methyl]cyclopropyl]methyl]-N-ethylbutane-1,4-diamine?
The IUPAC name of N'-[[2-[[4-(decylamino)butylamino]methyl]cyclopropyl]methyl]-N-ethylbutane-1,4-diamine (CID 69170913) is N'-[[2-[[4-(decylamino)butylamino]methyl]cyclopropyl]methyl]-N-ethylbutane-1,4-diamine.
What is the SMILES notation for N'-[[2-[[4-(decylamino)butylamino]methyl]cyclopropyl]methyl]-N-ethylbutane-1,4-diamine?
The canonical SMILES for N'-[[2-[[4-(decylamino)butylamino]methyl]cyclopropyl]methyl]-N-ethylbutane-1,4-diamine is CCCCCCCCCCNCCCCNCC1CC1CNCCCCNCC.
What is the InChIKey of N'-[[2-[[4-(decylamino)butylamino]methyl]cyclopropyl]methyl]-N-ethylbutane-1,4-diamine?
The InChIKey is AQYNIDKGWXGPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H54N4/c1-3-5-6-7-8-9-10-11-17-27-18-13-15-20-29-23-25-21-24(25)22-28-19-14-12-16-26-4-2/h24-29H,3-23H2,1-2H3.
What are the key properties of N'-[[2-[[4-(decylamino)butylamino]methyl]cyclopropyl]methyl]-N-ethylbutane-1,4-diamine?
N'-[[2-[[4-(decylamino)butylamino]methyl]cyclopropyl]methyl]-N-ethylbutane-1,4-diamine has a molecular weight of 410.74 g/mol, XLogP of 4.70, 24 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[2-[[4-(decylamino)butylamino]methyl]cyclopropyl]methyl]-N-ethylbutane-1,4-diamine is sourced from PubChem (CID 69170913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).