N'-ethyl-N-(2-methylpropyl)-N'-propylpentane-1,5-diamine

C14H32N2 — CID 62421601

IUPACN'-ethyl-N-(2-methylpropyl)-N'-propylpentane-1,5-diamine
SMILESCCCN(CC)CCCCCNCC(C)C
InChIInChI=1S/C14H32N2/c1-5-11-16(6-2)12-9-7-8-10-15-13-14(3)4/h14-15H,5-13H2,1-4H3
InChIKeyJDDMRPNVGUSNBW-UHFFFAOYSA-N
MW228.42 g/mol
LogP3.13
Rot. Bonds11

About N'-ethyl-N-(2-methylpropyl)-N'-propylpentane-1,5-diamine

N'-ethyl-N-(2-methylpropyl)-N'-propylpentane-1,5-diamine (PubChem CID 62421601) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is N'-ethyl-N-(2-methylpropyl)-N'-propylpentane-1,5-diamine.

Molecular Properties

Compound NameN'-ethyl-N-(2-methylpropyl)-N'-propylpentane-1,5-diamine
PubChem CID62421601
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC NameN'-ethyl-N-(2-methylpropyl)-N'-propylpentane-1,5-diamine
SMILESCCCN(CC)CCCCCNCC(C)C
InChIInChI=1S/C14H32N2/c1-5-11-16(6-2)12-9-7-8-10-15-13-14(3)4/h14-15H,5-13H2,1-4H3
InChIKeyJDDMRPNVGUSNBW-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-ethyl-N-(2-methylpropyl)-N'-propylpropane-1,3-diamine
CID 62421595
N'-ethyl-N'-(2-methylbutyl)-N-(2-methylpropyl)hexane-1,6-diamine
CID 79482264
N'-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-N'-propylpropane-1,3-diamine
CID 62436876
N-(2-methylpropyl)-N'-pentyl-N'-propan-2-ylpentane-1,5-diamine
CID 62462345
N-[5-(diethylamino)pentyl]-N',N'-diethylpentane-1,5-diamine
CID 23131522
N'-[2-(dimethylamino)ethyl]-N,N'-bis(2-methylpropyl)pentane-1,5-diamine
CID 62426095
N-decyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113405465
N-decyl-N',N'-diethyloctane-1,8-diamine
CID 54513384
N'-ethyl-N-(2-methylpropyl)-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62426982
N',N'-bis(2-methoxyethyl)-N-(2-methylpropyl)butane-1,4-diamine
CID 55072636
N-ethyl-N-propyldecan-1-amine
CID 56933807
N'-hexyl-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62591894

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-(2-methylpropyl)-N'-propylpentane-1,5-diamine?
The IUPAC name of N'-ethyl-N-(2-methylpropyl)-N'-propylpentane-1,5-diamine (CID 62421601) is N'-ethyl-N-(2-methylpropyl)-N'-propylpentane-1,5-diamine.
What is the SMILES notation for N'-ethyl-N-(2-methylpropyl)-N'-propylpentane-1,5-diamine?
The canonical SMILES for N'-ethyl-N-(2-methylpropyl)-N'-propylpentane-1,5-diamine is CCCN(CC)CCCCCNCC(C)C.
What is the InChIKey of N'-ethyl-N-(2-methylpropyl)-N'-propylpentane-1,5-diamine?
The InChIKey is JDDMRPNVGUSNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2/c1-5-11-16(6-2)12-9-7-8-10-15-13-14(3)4/h14-15H,5-13H2,1-4H3.
What are the key properties of N'-ethyl-N-(2-methylpropyl)-N'-propylpentane-1,5-diamine?
N'-ethyl-N-(2-methylpropyl)-N'-propylpentane-1,5-diamine has a molecular weight of 228.42 g/mol, XLogP of 3.13, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-(2-methylpropyl)-N'-propylpentane-1,5-diamine is sourced from PubChem (CID 62421601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).