N-cyclopropyl-N-(3-methylbutyl)-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine

C16H30N4 — CID 79026972

IUPACN-cyclopropyl-N-(3-methylbutyl)-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine
SMILESCC(C)CCN(C1CC1)C(CN)c1cncn1C(C)C
InChIInChI=1S/C16H30N4/c1-12(2)7-8-19(14-5-6-14)15(9-17)16-10-18-11-20(16)13(3)4/h10-15H,5-9,17H2,1-4H3
InChIKeyNZUGCNMEHRKGBE-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.97
Rot. Bonds8

About N-cyclopropyl-N-(3-methylbutyl)-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine

N-cyclopropyl-N-(3-methylbutyl)-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine (PubChem CID 79026972) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is N-cyclopropyl-N-(3-methylbutyl)-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N-(3-methylbutyl)-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine
PubChem CID79026972
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC NameN-cyclopropyl-N-(3-methylbutyl)-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine
SMILESCC(C)CCN(C1CC1)C(CN)c1cncn1C(C)C
InChIInChI=1S/C16H30N4/c1-12(2)7-8-19(14-5-6-14)15(9-17)16-10-18-11-20(16)13(3)4/h10-15H,5-9,17H2,1-4H3
InChIKeyNZUGCNMEHRKGBE-UHFFFAOYSA-N
XLogP2.97
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Methylhistamine
CID 3614
3-Methylhistamine
CID 69520
1-Methylhistamine dihydrochloride
CID 11957601
N-ethylhistamine
CID 44292270
2-(1-Methyl-1H-imidazol-4-yl)ethanamine hydrochloride
CID 16219661
2-(1-Isopropyl-1H-imidazol-4-yl)ethanamine
CID 585835
N(tele)-methylhistaminium
CID 25245502
2-(1-Isopropyl-1H-imidazol-5-yl)ethanamine
CID 18722276
2-(1-Allyl-1H-imidazol-4-yl)ethanamine
CID 44292444
2-(1-Methyl-1H-imidazol-5-yl)ethanamine hydrochloride
CID 45157688
1-(1-methyl-1H-imidazol-5-yl)ethan-1-amine
CID 54236205
((1-methyl-1H-imidazol-5-yl)methyl)(propan-2-yl)amine
CID 59237459

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(3-methylbutyl)-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine?
The IUPAC name of N-cyclopropyl-N-(3-methylbutyl)-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine (CID 79026972) is N-cyclopropyl-N-(3-methylbutyl)-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N-cyclopropyl-N-(3-methylbutyl)-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for N-cyclopropyl-N-(3-methylbutyl)-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine is CC(C)CCN(C1CC1)C(CN)c1cncn1C(C)C.
What is the InChIKey of N-cyclopropyl-N-(3-methylbutyl)-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine?
The InChIKey is NZUGCNMEHRKGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-12(2)7-8-19(14-5-6-14)15(9-17)16-10-18-11-20(16)13(3)4/h10-15H,5-9,17H2,1-4H3.
What are the key properties of N-cyclopropyl-N-(3-methylbutyl)-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine?
N-cyclopropyl-N-(3-methylbutyl)-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine has a molecular weight of 278.44 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(3-methylbutyl)-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 79026972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).