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

C16H32N2 — CID 62260393

IUPACN-cyclopropyl-N'-(cyclopropylmethyl)-2-ethyl-2-methyl-N'-propan-2-ylpropane-1,3-diamine
SMILESCCC(C)(CNC1CC1)CN(CC1CC1)C(C)C
InChIInChI=1S/C16H32N2/c1-5-16(4,11-17-15-8-9-15)12-18(13(2)3)10-14-6-7-14/h13-15,17H,5-12H2,1-4H3
InChIKeyHPUNISGDNBAQMJ-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.28
Rot. Bonds9

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

N-cyclopropyl-N'-(cyclopropylmethyl)-2-ethyl-2-methyl-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 62260393) 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'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N'-(cyclopropylmethyl)-2-ethyl-2-methyl-N'-propan-2-ylpropane-1,3-diamine
PubChem CID62260393
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC NameN-cyclopropyl-N'-(cyclopropylmethyl)-2-ethyl-2-methyl-N'-propan-2-ylpropane-1,3-diamine
SMILESCCC(C)(CNC1CC1)CN(CC1CC1)C(C)C
InChIInChI=1S/C16H32N2/c1-5-16(4,11-17-15-8-9-15)12-18(13(2)3)10-14-6-7-14/h13-15,17H,5-12H2,1-4H3
InChIKeyHPUNISGDNBAQMJ-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
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

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Related Compounds

N,N'-bis[3-[cyclopropyl(methyl)amino]propyl]butane-1,4-diamine
CID 18175279
N'-cyclopropyl-N-[3-[4-[cyclopropyl(methyl)amino]butylamino]propyl]-N'-methylbutane-1,4-diamine
CID 18175291
3-N-(cyclopropylmethyl)-1-N-[3-[3-(cyclopropylmethylamino)butylamino]propyl]butane-1,3-diamine
CID 58965221
N-(3-aminopropyl)-N,N'-bis(cyclopropylmethyl)-N'-[3-(propan-2-ylamino)propyl]butane-1,4-diamine
CID 60052136
2-tert-butyl-N'-cyclopropylpropane-1,3-diamine
CID 117242312
1-N-tert-butyl-1-N,3-N-dicyclopropyl-3-methylbutane-1,3-diamine
CID 138671879
N-[2,2-dimethyl-3-(propan-2-ylamino)propyl]-2-ethyl-2-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 138745530
2-(aminomethyl)-N-[(1S)-1-cyclopropylethyl]cyclopropan-1-amine
CID 139357257
N'-[3,3-dimethyl-4-(propan-2-ylamino)butyl]-N',2,2-trimethylbutane-1,4-diamine;ethane
CID 142493943
N-(3-aminopropyl)-N,N'-bis(cyclopropylmethyl)-N'-[3-(ethylamino)propyl]butane-1,4-diamine
CID 142817485
cyclopropylmethanamine;3,3-dimethylbutan-2-amine;ethane;N-methylbutan-1-amine
CID 142972611
1-N-cyclopropyl-1-N,2-N,3,3-tetramethylbutane-1,2-diamine;N,N-dimethylpropan-1-amine;ethane
CID 143105447

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-(cyclopropylmethyl)-2-ethyl-2-methyl-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N-cyclopropyl-N'-(cyclopropylmethyl)-2-ethyl-2-methyl-N'-propan-2-ylpropane-1,3-diamine (CID 62260393) is N-cyclopropyl-N'-(cyclopropylmethyl)-2-ethyl-2-methyl-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N-cyclopropyl-N'-(cyclopropylmethyl)-2-ethyl-2-methyl-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N-cyclopropyl-N'-(cyclopropylmethyl)-2-ethyl-2-methyl-N'-propan-2-ylpropane-1,3-diamine is CCC(C)(CNC1CC1)CN(CC1CC1)C(C)C.
What is the InChIKey of N-cyclopropyl-N'-(cyclopropylmethyl)-2-ethyl-2-methyl-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is HPUNISGDNBAQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-5-16(4,11-17-15-8-9-15)12-18(13(2)3)10-14-6-7-14/h13-15,17H,5-12H2,1-4H3.
What are the key properties of N-cyclopropyl-N'-(cyclopropylmethyl)-2-ethyl-2-methyl-N'-propan-2-ylpropane-1,3-diamine?
N-cyclopropyl-N'-(cyclopropylmethyl)-2-ethyl-2-methyl-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 252.45 g/mol, XLogP of 3.28, 9 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'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 62260393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).