N'-cyclopropyl-N'-methyl-N-(4-methyl-4-phenylpentan-2-yl)ethane-1,2-diamine

C18H30N2 — CID 62975730

IUPACN'-cyclopropyl-N'-methyl-N-(4-methyl-4-phenylpentan-2-yl)ethane-1,2-diamine
SMILESCC(CC(C)(C)c1ccccc1)NCCN(C)C1CC1
InChIInChI=1S/C18H30N2/c1-15(19-12-13-20(4)17-10-11-17)14-18(2,3)16-8-6-5-7-9-16/h5-9,15,17,19H,10-14H2,1-4H3
InChIKeyICSOPNSYKKZSCB-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.43
Rot. Bonds8

About N'-cyclopropyl-N'-methyl-N-(4-methyl-4-phenylpentan-2-yl)ethane-1,2-diamine

N'-cyclopropyl-N'-methyl-N-(4-methyl-4-phenylpentan-2-yl)ethane-1,2-diamine (PubChem CID 62975730) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N'-cyclopropyl-N'-methyl-N-(4-methyl-4-phenylpentan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-methyl-N-(4-methyl-4-phenylpentan-2-yl)ethane-1,2-diamine
PubChem CID62975730
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN'-cyclopropyl-N'-methyl-N-(4-methyl-4-phenylpentan-2-yl)ethane-1,2-diamine
SMILESCC(CC(C)(C)c1ccccc1)NCCN(C)C1CC1
InChIInChI=1S/C18H30N2/c1-15(19-12-13-20(4)17-10-11-17)14-18(2,3)16-8-6-5-7-9-16/h5-9,15,17,19H,10-14H2,1-4H3
InChIKeyICSOPNSYKKZSCB-UHFFFAOYSA-N
XLogP3.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N',N'-dimethyl-N-(4-methyl-4-phenylpentan-2-yl)ethane-1,2-diamine
CID 43754808
N-(2-cyclopentylethyl)-4-methyl-4-phenylpentan-2-amine
CID 63450264
N'-cyclopropyl-N'-methyl-N-(1-phenylethyl)ethane-1,2-diamine
CID 62975342
4-methyl-N-[(2-methylcyclopentyl)methyl]-4-phenylpentan-2-amine
CID 107417617
N-hexyl-4-methyl-4-phenylpentan-2-amine
CID 43769669
N-(2-ethylsulfonylethyl)-4-methyl-4-phenylpentan-2-amine
CID 103921230
4-methyl-4-phenyl-N-(thian-4-ylmethyl)pentan-2-amine
CID 115905762
N'-cyclopropyl-N'-methyl-N-(3-methyl-1-phenylbutyl)ethane-1,2-diamine
CID 62977565
(2R)-N,4-dimethyl-4-phenylpentan-2-amine
CID 42077724
N-but-2-ynyl-4-methyl-4-phenylpentan-2-amine
CID 115906615
N-[(2R)-4-methyl-4-phenylpentan-2-yl]cyclopropanecarboxamide
CID 95376601
3-[[(4-methyl-4-phenylpentan-2-yl)amino]methyl]pentan-3-ol
CID 65105672

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-methyl-N-(4-methyl-4-phenylpentan-2-yl)ethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N'-methyl-N-(4-methyl-4-phenylpentan-2-yl)ethane-1,2-diamine (CID 62975730) is N'-cyclopropyl-N'-methyl-N-(4-methyl-4-phenylpentan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N'-methyl-N-(4-methyl-4-phenylpentan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N'-methyl-N-(4-methyl-4-phenylpentan-2-yl)ethane-1,2-diamine is CC(CC(C)(C)c1ccccc1)NCCN(C)C1CC1.
What is the InChIKey of N'-cyclopropyl-N'-methyl-N-(4-methyl-4-phenylpentan-2-yl)ethane-1,2-diamine?
The InChIKey is ICSOPNSYKKZSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-15(19-12-13-20(4)17-10-11-17)14-18(2,3)16-8-6-5-7-9-16/h5-9,15,17,19H,10-14H2,1-4H3.
What are the key properties of N'-cyclopropyl-N'-methyl-N-(4-methyl-4-phenylpentan-2-yl)ethane-1,2-diamine?
N'-cyclopropyl-N'-methyl-N-(4-methyl-4-phenylpentan-2-yl)ethane-1,2-diamine has a molecular weight of 274.45 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N'-methyl-N-(4-methyl-4-phenylpentan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 62975730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).