N'-ethyl-N'-(2-methylprop-2-enyl)-N-propan-2-ylpentane-1,5-diamine

C14H30N2 — CID 62417661

IUPACN'-ethyl-N'-(2-methylprop-2-enyl)-N-propan-2-ylpentane-1,5-diamine
SMILESC=C(C)CN(CC)CCCCCNC(C)C
InChIInChI=1S/C14H30N2/c1-6-16(12-13(2)3)11-9-7-8-10-15-14(4)5/h14-15H,2,6-12H2,1,3-5H3
InChIKeyHHOFAJQFQKDODN-UHFFFAOYSA-N
MW226.41 g/mol
LogP3.05
Rot. Bonds10

About N'-ethyl-N'-(2-methylprop-2-enyl)-N-propan-2-ylpentane-1,5-diamine

N'-ethyl-N'-(2-methylprop-2-enyl)-N-propan-2-ylpentane-1,5-diamine (PubChem CID 62417661) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N'-ethyl-N'-(2-methylprop-2-enyl)-N-propan-2-ylpentane-1,5-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(2-methylprop-2-enyl)-N-propan-2-ylpentane-1,5-diamine
PubChem CID62417661
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN'-ethyl-N'-(2-methylprop-2-enyl)-N-propan-2-ylpentane-1,5-diamine
SMILESC=C(C)CN(CC)CCCCCNC(C)C
InChIInChI=1S/C14H30N2/c1-6-16(12-13(2)3)11-9-7-8-10-15-14(4)5/h14-15H,2,6-12H2,1,3-5H3
InChIKeyHHOFAJQFQKDODN-UHFFFAOYSA-N
XLogP3.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-ethyl-N'-(2-methylprop-2-enyl)hexane-1,6-diamine
CID 28599551
N'-dodecyl-N'-ethyl-N-propan-2-ylethane-1,2-diamine
CID 63528013
1-N,3-N-diethyl-1-N-(2-methylprop-2-enyl)butane-1,3-diamine
CID 62834009
N'-butyl-N'-ethyl-N-propan-2-ylpropane-1,3-diamine
CID 60853451
N',N'-bis(3-methylbutyl)-N-propan-2-ylhexane-1,6-diamine
CID 107871319
4-(2-methylprop-2-enoxy)-N-propan-2-ylbutan-1-amine
CID 166111983
N',N'-dibutyl-N-propan-2-ylpropane-1,3-diamine
CID 60854537
N'-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)-N-propan-2-ylpentane-1,5-diamine
CID 62425913
4-[2-(diethylamino)ethoxy]-N-propan-2-ylbutan-1-amine
CID 62459863
1-N,1-N-diethyl-4-N-(2-methylprop-2-enyl)pentane-1,4-diamine
CID 60689920
N-propan-2-ylicosan-1-amine
CID 87246132
N'-(4-ethoxybutyl)-N'-ethyl-N-propan-2-ylpropane-1,3-diamine;molecular hydrogen
CID 156884797

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(2-methylprop-2-enyl)-N-propan-2-ylpentane-1,5-diamine?
The IUPAC name of N'-ethyl-N'-(2-methylprop-2-enyl)-N-propan-2-ylpentane-1,5-diamine (CID 62417661) is N'-ethyl-N'-(2-methylprop-2-enyl)-N-propan-2-ylpentane-1,5-diamine.
What is the SMILES notation for N'-ethyl-N'-(2-methylprop-2-enyl)-N-propan-2-ylpentane-1,5-diamine?
The canonical SMILES for N'-ethyl-N'-(2-methylprop-2-enyl)-N-propan-2-ylpentane-1,5-diamine is C=C(C)CN(CC)CCCCCNC(C)C.
What is the InChIKey of N'-ethyl-N'-(2-methylprop-2-enyl)-N-propan-2-ylpentane-1,5-diamine?
The InChIKey is HHOFAJQFQKDODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-6-16(12-13(2)3)11-9-7-8-10-15-14(4)5/h14-15H,2,6-12H2,1,3-5H3.
What are the key properties of N'-ethyl-N'-(2-methylprop-2-enyl)-N-propan-2-ylpentane-1,5-diamine?
N'-ethyl-N'-(2-methylprop-2-enyl)-N-propan-2-ylpentane-1,5-diamine has a molecular weight of 226.41 g/mol, XLogP of 3.05, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(2-methylprop-2-enyl)-N-propan-2-ylpentane-1,5-diamine is sourced from PubChem (CID 62417661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).