N-(cyclopropylmethyl)-N'-ethyl-N'-propan-2-ylethane-1,2-diamine

C11H24N2 — CID 60867492

IUPACN-(cyclopropylmethyl)-N'-ethyl-N'-propan-2-ylethane-1,2-diamine
SMILESCCN(CCNCC1CC1)C(C)C
InChIInChI=1S/C11H24N2/c1-4-13(10(2)3)8-7-12-9-11-5-6-11/h10-12H,4-9H2,1-3H3
InChIKeyOVQPAUKNABMVML-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.72
Rot. Bonds7

About N-(cyclopropylmethyl)-N'-ethyl-N'-propan-2-ylethane-1,2-diamine

N-(cyclopropylmethyl)-N'-ethyl-N'-propan-2-ylethane-1,2-diamine (PubChem CID 60867492) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N'-ethyl-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N'-ethyl-N'-propan-2-ylethane-1,2-diamine
PubChem CID60867492
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC NameN-(cyclopropylmethyl)-N'-ethyl-N'-propan-2-ylethane-1,2-diamine
SMILESCCN(CCNCC1CC1)C(C)C
InChIInChI=1S/C11H24N2/c1-4-13(10(2)3)8-7-12-9-11-5-6-11/h10-12H,4-9H2,1-3H3
InChIKeyOVQPAUKNABMVML-UHFFFAOYSA-N
XLogP1.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.72
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'-propan-2-yl-N'-propylethane-1,2-diamine
CID 60867853
N-(cyclopropylmethyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 60867294
N-(cyclohexylmethyl)-N'-pentyl-N'-propan-2-ylethane-1,2-diamine
CID 63504271
N-(cyclopropylmethyl)-N',N'-bis(2-methylpropyl)ethane-1,2-diamine
CID 61378857
N-(cyclooctylmethyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 114207737
N'-ethyl-N'-propan-2-yl-N-prop-2-enylethane-1,2-diamine
CID 62574549
N-(cyclopropylmethyl)-N',N'-diethylbutane-1,4-diamine
CID 83960498
N'-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)-N'-propan-2-ylethane-1,2-diamine
CID 55089415
tert-butyl N-[2-[(4-methylcyclohexyl)methylamino]ethyl]-N-propan-2-ylcarbamate
CID 107245646
N'-cyclopropyl-N-(cyclopropylmethyl)-N'-propylethane-1,2-diamine
CID 60867855
N,N'-bis(cyclopropylmethyl)-N'-propylethane-1,2-diamine
CID 61443394
4-[[2-(diethylamino)ethylamino]methyl]cyclohexane-1-carboxylic acid
CID 79532481

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N'-ethyl-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N-(cyclopropylmethyl)-N'-ethyl-N'-propan-2-ylethane-1,2-diamine (CID 60867492) is N-(cyclopropylmethyl)-N'-ethyl-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N-(cyclopropylmethyl)-N'-ethyl-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N-(cyclopropylmethyl)-N'-ethyl-N'-propan-2-ylethane-1,2-diamine is CCN(CCNCC1CC1)C(C)C.
What is the InChIKey of N-(cyclopropylmethyl)-N'-ethyl-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is OVQPAUKNABMVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-4-13(10(2)3)8-7-12-9-11-5-6-11/h10-12H,4-9H2,1-3H3.
What are the key properties of N-(cyclopropylmethyl)-N'-ethyl-N'-propan-2-ylethane-1,2-diamine?
N-(cyclopropylmethyl)-N'-ethyl-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 184.33 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N'-ethyl-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 60867492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).