N-(cyclopropylmethyl)-N',N'-bis(2-methylpropyl)ethane-1,2-diamine

C14H30N2 — CID 61378857

IUPACN-(cyclopropylmethyl)-N',N'-bis(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CN(CCNCC1CC1)CC(C)C
InChIInChI=1S/C14H30N2/c1-12(2)10-16(11-13(3)4)8-7-15-9-14-5-6-14/h12-15H,5-11H2,1-4H3
InChIKeyHCLMHPOPLHYATA-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.60
Rot. Bonds9

About N-(cyclopropylmethyl)-N',N'-bis(2-methylpropyl)ethane-1,2-diamine

N-(cyclopropylmethyl)-N',N'-bis(2-methylpropyl)ethane-1,2-diamine (PubChem CID 61378857) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N',N'-bis(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N',N'-bis(2-methylpropyl)ethane-1,2-diamine
PubChem CID61378857
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN-(cyclopropylmethyl)-N',N'-bis(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CN(CCNCC1CC1)CC(C)C
InChIInChI=1S/C14H30N2/c1-12(2)10-16(11-13(3)4)8-7-15-9-14-5-6-14/h12-15H,5-11H2,1-4H3
InChIKeyHCLMHPOPLHYATA-UHFFFAOYSA-N
XLogP2.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.60
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-(cyclopropylmethyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 60867294
N'-ethyl-N'-(2-methylpropyl)-N-(oxolan-3-ylmethyl)ethane-1,2-diamine
CID 62575446
N-cyclopropyl-N',N'-bis(2-methylpropyl)ethane-1,2-diamine
CID 61378678
N-(cyclopropylmethyl)-N'-ethyl-N'-propan-2-ylethane-1,2-diamine
CID 60867492
N,N'-bis(cyclopropylmethyl)-N'-propylethane-1,2-diamine
CID 61443394
4-[[2-(dimethylamino)ethylamino]methyl]cyclohexan-1-ol
CID 106133697
N-(2-methoxyethyl)-N',N'-bis(2-methylpropyl)ethane-1,2-diamine
CID 62574591
N-(cyclopropylmethyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine
CID 60867853
N-(cyclopentylmethyl)-3-methylbutan-1-amine
CID 43317373
N-(dicyclopropylmethyl)-N',N'-bis(2-methylpropyl)ethane-1,2-diamine
CID 55090020
N-(cyclohexylmethyl)-N'-ethyl-N'-(2-ethylbutyl)ethane-1,2-diamine
CID 63503578
N-(cyclopentylmethyl)-N'-(cyclopropylmethyl)-N'-propylethane-1,2-diamine
CID 55089985

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N',N'-bis(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of N-(cyclopropylmethyl)-N',N'-bis(2-methylpropyl)ethane-1,2-diamine (CID 61378857) is N-(cyclopropylmethyl)-N',N'-bis(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N-(cyclopropylmethyl)-N',N'-bis(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for N-(cyclopropylmethyl)-N',N'-bis(2-methylpropyl)ethane-1,2-diamine is CC(C)CN(CCNCC1CC1)CC(C)C.
What is the InChIKey of N-(cyclopropylmethyl)-N',N'-bis(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is HCLMHPOPLHYATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-12(2)10-16(11-13(3)4)8-7-15-9-14-5-6-14/h12-15H,5-11H2,1-4H3.
What are the key properties of N-(cyclopropylmethyl)-N',N'-bis(2-methylpropyl)ethane-1,2-diamine?
N-(cyclopropylmethyl)-N',N'-bis(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 226.41 g/mol, XLogP of 2.60, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N',N'-bis(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 61378857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).