N-cyclopropyl-N-(cyclopropylmethyl)-2-ethyl-2-methyl-N'-propylpropane-1,3-diamine

C16H32N2 — CID 64520870

IUPACN-cyclopropyl-N-(cyclopropylmethyl)-2-ethyl-2-methyl-N'-propylpropane-1,3-diamine
SMILESCCCNCC(C)(CC)CN(CC1CC1)C1CC1
InChIInChI=1S/C16H32N2/c1-4-10-17-12-16(3,5-2)13-18(15-8-9-15)11-14-6-7-14/h14-15,17H,4-13H2,1-3H3
InChIKeyDOHJJNNZOFYIDH-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.28
Rot. Bonds10

About N-cyclopropyl-N-(cyclopropylmethyl)-2-ethyl-2-methyl-N'-propylpropane-1,3-diamine

N-cyclopropyl-N-(cyclopropylmethyl)-2-ethyl-2-methyl-N'-propylpropane-1,3-diamine (PubChem CID 64520870) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is N-cyclopropyl-N-(cyclopropylmethyl)-2-ethyl-2-methyl-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N-(cyclopropylmethyl)-2-ethyl-2-methyl-N'-propylpropane-1,3-diamine
PubChem CID64520870
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC NameN-cyclopropyl-N-(cyclopropylmethyl)-2-ethyl-2-methyl-N'-propylpropane-1,3-diamine
SMILESCCCNCC(C)(CC)CN(CC1CC1)C1CC1
InChIInChI=1S/C16H32N2/c1-4-10-17-12-16(3,5-2)13-18(15-8-9-15)11-14-6-7-14/h14-15,17H,4-13H2,1-3H3
InChIKeyDOHJJNNZOFYIDH-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.28
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-cyclopropyl-N',2-diethyl-2-methyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62256566
N-cyclopropyl-2-ethyl-2-methyl-N'-(2-methylpropyl)-N-propylpropane-1,3-diamine
CID 62263679
4-cyclohexyl-2-ethyl-2-methyl-N-propylbutan-1-amine
CID 114192517
N-tert-butyl-N'-cyclopropyl-2-ethyl-2-methyl-N'-propylpropane-1,3-diamine
CID 62263510
1-[cyclopropyl(cyclopropylmethyl)amino]-2-methylpropan-2-ol
CID 64520024
N-cyclopropyl-2-ethyl-2-methyl-N-(3-methylbutyl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 78944163
1-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-3-(propan-2-ylamino)propan-2-ol
CID 66334409
N-cyclopropyl-2,2-diethyl-N'-propyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62256736
2-[cyclobutyl-[2-(ethylaminomethyl)-2-methylbutyl]amino]ethanol
CID 102870942
2-ethyl-N,2-dimethyl-N-(2-methyloxolan-3-yl)-N'-propylpropane-1,3-diamine
CID 82744320
2-cyclopropyl-3-[cyclopropyl(cyclopropylmethyl)amino]-2-(propylamino)propanoic acid
CID 64521042
N,2-dimethyl-N-(oxan-4-ylmethyl)-N',2-dipropylpropane-1,3-diamine
CID 63713052

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(cyclopropylmethyl)-2-ethyl-2-methyl-N'-propylpropane-1,3-diamine?
The IUPAC name of N-cyclopropyl-N-(cyclopropylmethyl)-2-ethyl-2-methyl-N'-propylpropane-1,3-diamine (CID 64520870) is N-cyclopropyl-N-(cyclopropylmethyl)-2-ethyl-2-methyl-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N-cyclopropyl-N-(cyclopropylmethyl)-2-ethyl-2-methyl-N'-propylpropane-1,3-diamine?
The canonical SMILES for N-cyclopropyl-N-(cyclopropylmethyl)-2-ethyl-2-methyl-N'-propylpropane-1,3-diamine is CCCNCC(C)(CC)CN(CC1CC1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(cyclopropylmethyl)-2-ethyl-2-methyl-N'-propylpropane-1,3-diamine?
The InChIKey is DOHJJNNZOFYIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-4-10-17-12-16(3,5-2)13-18(15-8-9-15)11-14-6-7-14/h14-15,17H,4-13H2,1-3H3.
What are the key properties of N-cyclopropyl-N-(cyclopropylmethyl)-2-ethyl-2-methyl-N'-propylpropane-1,3-diamine?
N-cyclopropyl-N-(cyclopropylmethyl)-2-ethyl-2-methyl-N'-propylpropane-1,3-diamine has a molecular weight of 252.45 g/mol, XLogP of 3.28, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(cyclopropylmethyl)-2-ethyl-2-methyl-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 64520870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).