N-cyclopropyl-1-(4-cyclopropylphenyl)-N-(3-methylbutyl)ethane-1,2-diamine

C19H30N2 — CID 79969641

IUPACN-cyclopropyl-1-(4-cyclopropylphenyl)-N-(3-methylbutyl)ethane-1,2-diamine
SMILESCC(C)CCN(C1CC1)C(CN)c1ccc(C2CC2)cc1
InChIInChI=1S/C19H30N2/c1-14(2)11-12-21(18-9-10-18)19(13-20)17-7-5-16(6-8-17)15-3-4-15/h5-8,14-15,18-19H,3-4,9-13,20H2,1-2H3
InChIKeyLAWHRLKKRAWVKK-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.07
Rot. Bonds8

About N-cyclopropyl-1-(4-cyclopropylphenyl)-N-(3-methylbutyl)ethane-1,2-diamine

N-cyclopropyl-1-(4-cyclopropylphenyl)-N-(3-methylbutyl)ethane-1,2-diamine (PubChem CID 79969641) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is N-cyclopropyl-1-(4-cyclopropylphenyl)-N-(3-methylbutyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopropyl-1-(4-cyclopropylphenyl)-N-(3-methylbutyl)ethane-1,2-diamine
PubChem CID79969641
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC NameN-cyclopropyl-1-(4-cyclopropylphenyl)-N-(3-methylbutyl)ethane-1,2-diamine
SMILESCC(C)CCN(C1CC1)C(CN)c1ccc(C2CC2)cc1
InChIInChI=1S/C19H30N2/c1-14(2)11-12-21(18-9-10-18)19(13-20)17-7-5-16(6-8-17)15-3-4-15/h5-8,14-15,18-19H,3-4,9-13,20H2,1-2H3
InChIKeyLAWHRLKKRAWVKK-UHFFFAOYSA-N
XLogP4.07
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methyl-3-phenylpiperazine
CID 2760009
Isobutyl-(4-methyl-benzyl)-piperidin-4-yl-amine
CID 44411213
(2-Aminoethyl)(benzyl)methylamine
CID 3014812
N,N'-Bis(1-phenylethyl)diaminoethane
CID 22679
(2-Amino-1-phenylethyl)dimethylamine
CID 241652
1-(4-Ethylbenzyl)piperazine
CID 769677
C-[(S)-C-((S)-1-Benzhydryl-azetidin-2-yl)-C-p-tolyl]-methylamine
CID 10150001
Diethyl-[4-(phenyl-piperazin-1-yl-methyl)-benzyl]-amine
CID 10735696
trans-(1S,2R)-N-benzyl-2-phenylcyclopropan-1-amine
CID 44572695
trans-(1R,2S)-N-[(1-benzylpiperidin-4-yl)methyl]-2-phenylcyclopropan-1-amine
CID 66571532
[(1-Methyl-4-piperidinyl)methyl][trans-2-phenylcyclopropyl]amine
CID 66571590
N-[(4-methylphenyl)methyl]-2-(4-methylpiperazin-1-yl)-1-phenylethanamine
CID 72024126

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(4-cyclopropylphenyl)-N-(3-methylbutyl)ethane-1,2-diamine?
The IUPAC name of N-cyclopropyl-1-(4-cyclopropylphenyl)-N-(3-methylbutyl)ethane-1,2-diamine (CID 79969641) is N-cyclopropyl-1-(4-cyclopropylphenyl)-N-(3-methylbutyl)ethane-1,2-diamine.
What is the SMILES notation for N-cyclopropyl-1-(4-cyclopropylphenyl)-N-(3-methylbutyl)ethane-1,2-diamine?
The canonical SMILES for N-cyclopropyl-1-(4-cyclopropylphenyl)-N-(3-methylbutyl)ethane-1,2-diamine is CC(C)CCN(C1CC1)C(CN)c1ccc(C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-1-(4-cyclopropylphenyl)-N-(3-methylbutyl)ethane-1,2-diamine?
The InChIKey is LAWHRLKKRAWVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-14(2)11-12-21(18-9-10-18)19(13-20)17-7-5-16(6-8-17)15-3-4-15/h5-8,14-15,18-19H,3-4,9-13,20H2,1-2H3.
What are the key properties of N-cyclopropyl-1-(4-cyclopropylphenyl)-N-(3-methylbutyl)ethane-1,2-diamine?
N-cyclopropyl-1-(4-cyclopropylphenyl)-N-(3-methylbutyl)ethane-1,2-diamine has a molecular weight of 286.46 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(4-cyclopropylphenyl)-N-(3-methylbutyl)ethane-1,2-diamine is sourced from PubChem (CID 79969641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).