N'-[3-(6-cyclopropylhexylamino)propyl]-N-ethylpropane-1,3-diamine

C17H37N3 — CID 158860052

IUPACN'-[3-(6-cyclopropylhexylamino)propyl]-N-ethylpropane-1,3-diamine
SMILESCCNCCCNCCCNCCCCCCC1CC1
InChIInChI=1S/C17H37N3/c1-2-18-13-7-14-20-16-8-15-19-12-6-4-3-5-9-17-10-11-17/h17-20H,2-16H2,1H3
InChIKeyNMDGPDDTBTXPHM-UHFFFAOYSA-N
MW283.50 g/mol
LogP2.92
Rot. Bonds16

About N'-[3-(6-cyclopropylhexylamino)propyl]-N-ethylpropane-1,3-diamine

N'-[3-(6-cyclopropylhexylamino)propyl]-N-ethylpropane-1,3-diamine (PubChem CID 158860052) has the molecular formula C17H37N3 and a molecular weight of 283.50 g/mol. Its IUPAC name is N'-[3-(6-cyclopropylhexylamino)propyl]-N-ethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[3-(6-cyclopropylhexylamino)propyl]-N-ethylpropane-1,3-diamine
PubChem CID158860052
Molecular FormulaC17H37N3
Molecular Weight283.50 g/mol
Exact Mass283.30
IUPAC NameN'-[3-(6-cyclopropylhexylamino)propyl]-N-ethylpropane-1,3-diamine
SMILESCCNCCCNCCCNCCCCCCC1CC1
InChIInChI=1S/C17H37N3/c1-2-18-13-7-14-20-16-8-15-19-12-6-4-3-5-9-17-10-11-17/h17-20H,2-16H2,1H3
InChIKeyNMDGPDDTBTXPHM-UHFFFAOYSA-N
XLogP2.92
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-cyclopropyl-N-propylbutan-1-amine
CID 57222613
N-ethyl-N'-[4-[4-(ethylamino)butylamino]butyl]pentane-1,5-diamine;N-ethyl-N'-[4-[3-(ethylamino)propylamino]butyl]butane-1,4-diamine;N-ethyl-N'-[3-[3-(ethylamino)propylamino]propyl]butane-1,4-diamine
CID 159678925
N,N'-bis[3-(ethylamino)propyl]pentane-1,5-diamine;tetrahydrobromide
CID 86261000
N-ethyl-N'-[9-(ethylamino)nonyl]nonane-1,9-diamine
CID 58260221
N'-(4-cycloheptylbutyl)-N-propylpropane-1,3-diamine
CID 91402208
N,N'-diethylpentane-1,5-diamine
CID 15013244
N-ethyl-N'-hexadecylpropane-1,3-diamine
CID 46736046
N-ethyl-N'-octadecylpropane-1,3-diamine
CID 175605866
N-[6-[(1S,2R)-2-[6-(ethylamino)hexyl]cyclopropyl]hexyl]undecan-1-amine
CID 58260275
N'-[3-(ethylamino)propyl]-N-[3-(methylamino)propyl]heptane-1,7-diamine
CID 19698839
N'-cyclopropyl-N-ethylheptane-1,7-diamine
CID 66321914
octadecane;pentadecylcyclopropane
CID 173301851

Frequently Asked Questions

What is the IUPAC name of N'-[3-(6-cyclopropylhexylamino)propyl]-N-ethylpropane-1,3-diamine?
The IUPAC name of N'-[3-(6-cyclopropylhexylamino)propyl]-N-ethylpropane-1,3-diamine (CID 158860052) is N'-[3-(6-cyclopropylhexylamino)propyl]-N-ethylpropane-1,3-diamine.
What is the SMILES notation for N'-[3-(6-cyclopropylhexylamino)propyl]-N-ethylpropane-1,3-diamine?
The canonical SMILES for N'-[3-(6-cyclopropylhexylamino)propyl]-N-ethylpropane-1,3-diamine is CCNCCCNCCCNCCCCCCC1CC1.
What is the InChIKey of N'-[3-(6-cyclopropylhexylamino)propyl]-N-ethylpropane-1,3-diamine?
The InChIKey is NMDGPDDTBTXPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3/c1-2-18-13-7-14-20-16-8-15-19-12-6-4-3-5-9-17-10-11-17/h17-20H,2-16H2,1H3.
What are the key properties of N'-[3-(6-cyclopropylhexylamino)propyl]-N-ethylpropane-1,3-diamine?
N'-[3-(6-cyclopropylhexylamino)propyl]-N-ethylpropane-1,3-diamine has a molecular weight of 283.50 g/mol, XLogP of 2.92, 16 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(6-cyclopropylhexylamino)propyl]-N-ethylpropane-1,3-diamine is sourced from PubChem (CID 158860052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).