2-N-cyclopropyl-2-methyl-2-N-(thiophen-3-ylmethyl)nonane-1,2-diamine

C18H32N2S — CID 63470809

IUPAC2-N-cyclopropyl-2-methyl-2-N-(thiophen-3-ylmethyl)nonane-1,2-diamine
SMILESCCCCCCCC(C)(CN)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C18H32N2S/c1-3-4-5-6-7-11-18(2,15-19)20(17-8-9-17)13-16-10-12-21-14-16/h10,12,14,17H,3-9,11,13,15,19H2,1-2H3
InChIKeyKRIKRFUMKDSOKO-UHFFFAOYSA-N
MW308.54 g/mol
LogP4.79
Rot. Bonds11

About 2-N-cyclopropyl-2-methyl-2-N-(thiophen-3-ylmethyl)nonane-1,2-diamine

2-N-cyclopropyl-2-methyl-2-N-(thiophen-3-ylmethyl)nonane-1,2-diamine (PubChem CID 63470809) has the molecular formula C18H32N2S and a molecular weight of 308.54 g/mol. Its IUPAC name is 2-N-cyclopropyl-2-methyl-2-N-(thiophen-3-ylmethyl)nonane-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-2-methyl-2-N-(thiophen-3-ylmethyl)nonane-1,2-diamine
PubChem CID63470809
Molecular FormulaC18H32N2S
Molecular Weight308.54 g/mol
Exact Mass308.23
IUPAC Name2-N-cyclopropyl-2-methyl-2-N-(thiophen-3-ylmethyl)nonane-1,2-diamine
SMILESCCCCCCCC(C)(CN)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C18H32N2S/c1-3-4-5-6-7-11-18(2,15-19)20(17-8-9-17)13-16-10-12-21-14-16/h10,12,14,17H,3-9,11,13,15,19H2,1-2H3
InChIKeyKRIKRFUMKDSOKO-UHFFFAOYSA-N
XLogP4.79
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.54
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-N-cyclopropyl-2-methyl-2-N-(2-methylpropyl)nonane-1,2-diamine
CID 63465034
2-N-cyclopropyl-2-methyl-2-N-(3-methylbutyl)nonane-1,2-diamine
CID 78944020
N'-cyclopropyl-2,2-dimethyl-N'-(thiophen-3-ylmethyl)pentane-1,5-diamine
CID 65253760
2-N-cyclopropyl-2-methyl-2-N-(3-methylbutyl)heptane-1,2-diamine
CID 80558361
2-N-cyclopropyl-2-N-(2-methoxyethyl)-2-methylnonane-1,2-diamine
CID 61452960
2-N-cyclopropyl-2-N,2-dimethylnonane-1,2-diamine
CID 43264803
2-N-cycloheptyl-2-N,2-dimethylnonane-1,2-diamine
CID 43613910
2-N-benzyl-2-N-ethyl-2-methylnonane-1,2-diamine
CID 43130163
3-N-cyclopropyl-3-N-(thiophen-3-ylmethyl)butane-1,3-diamine
CID 61433840
1-N-cyclopropyl-1-N-(thiophen-3-ylmethyl)butane-1,2-diamine
CID 61435222
2-N-(cyclobutylmethyl)-2-N-ethyl-2-methyloctane-1,2-diamine
CID 107397828
4-N-cyclopropyl-1-N-propyl-4-N-(thiophen-3-ylmethyl)cyclohexane-1,4-diamine
CID 114762977

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-2-methyl-2-N-(thiophen-3-ylmethyl)nonane-1,2-diamine?
The IUPAC name of 2-N-cyclopropyl-2-methyl-2-N-(thiophen-3-ylmethyl)nonane-1,2-diamine (CID 63470809) is 2-N-cyclopropyl-2-methyl-2-N-(thiophen-3-ylmethyl)nonane-1,2-diamine.
What is the SMILES notation for 2-N-cyclopropyl-2-methyl-2-N-(thiophen-3-ylmethyl)nonane-1,2-diamine?
The canonical SMILES for 2-N-cyclopropyl-2-methyl-2-N-(thiophen-3-ylmethyl)nonane-1,2-diamine is CCCCCCCC(C)(CN)N(Cc1ccsc1)C1CC1.
What is the InChIKey of 2-N-cyclopropyl-2-methyl-2-N-(thiophen-3-ylmethyl)nonane-1,2-diamine?
The InChIKey is KRIKRFUMKDSOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2S/c1-3-4-5-6-7-11-18(2,15-19)20(17-8-9-17)13-16-10-12-21-14-16/h10,12,14,17H,3-9,11,13,15,19H2,1-2H3.
What are the key properties of 2-N-cyclopropyl-2-methyl-2-N-(thiophen-3-ylmethyl)nonane-1,2-diamine?
2-N-cyclopropyl-2-methyl-2-N-(thiophen-3-ylmethyl)nonane-1,2-diamine has a molecular weight of 308.54 g/mol, XLogP of 4.79, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-2-methyl-2-N-(thiophen-3-ylmethyl)nonane-1,2-diamine is sourced from PubChem (CID 63470809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).