N-butan-2-yl-N'-cyclopropyl-N'-propylethane-1,2-diamine

C12H26N2 — CID 60852498

IUPACN-butan-2-yl-N'-cyclopropyl-N'-propylethane-1,2-diamine
SMILESCCCN(CCNC(C)CC)C1CC1
InChIInChI=1S/C12H26N2/c1-4-9-14(12-6-7-12)10-8-13-11(3)5-2/h11-13H,4-10H2,1-3H3
InChIKeyPHGSGVUQBBKQTO-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.25
Rot. Bonds8

About N-butan-2-yl-N'-cyclopropyl-N'-propylethane-1,2-diamine

N-butan-2-yl-N'-cyclopropyl-N'-propylethane-1,2-diamine (PubChem CID 60852498) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N-butan-2-yl-N'-cyclopropyl-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN-butan-2-yl-N'-cyclopropyl-N'-propylethane-1,2-diamine
PubChem CID60852498
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN-butan-2-yl-N'-cyclopropyl-N'-propylethane-1,2-diamine
SMILESCCCN(CCNC(C)CC)C1CC1
InChIInChI=1S/C12H26N2/c1-4-9-14(12-6-7-12)10-8-13-11(3)5-2/h11-13H,4-10H2,1-3H3
InChIKeyPHGSGVUQBBKQTO-UHFFFAOYSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-butyl-N'-cyclopropyl-N-pentan-3-ylethane-1,2-diamine
CID 62555536
N-butan-2-yl-N',N'-dipropylethane-1,2-diamine
CID 54809596
N'-cyclopropyl-N'-ethyl-N-(5-methylhexan-2-yl)ethane-1,2-diamine
CID 62560903
N-butan-2-yl-N'-cyclopropyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 61449596
1-N-cyclopropyl-1-N,2-N-dipropylbutane-1,2-diamine
CID 62040333
N-butan-2-yl-N'-cycloheptyl-N'-methylethane-1,2-diamine
CID 60853944
N'-cyclopropyl-N-(cyclopropylmethyl)-N'-propylethane-1,2-diamine
CID 60867855
N'-cyclohexyl-N-methyl-N'-propylethane-1,2-diamine
CID 82932420
N'-cycloheptyl-N-methyl-N'-propylethane-1,2-diamine
CID 82931038
N-butan-2-yl-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82740088
1-[cyclopropyl(propyl)amino]propan-2-ol
CID 60886554
N-butan-2-yl-N'-(cyclopentylmethyl)-N'-methylethane-1,2-diamine
CID 63657941

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N'-cyclopropyl-N'-propylethane-1,2-diamine?
The IUPAC name of N-butan-2-yl-N'-cyclopropyl-N'-propylethane-1,2-diamine (CID 60852498) is N-butan-2-yl-N'-cyclopropyl-N'-propylethane-1,2-diamine.
What is the SMILES notation for N-butan-2-yl-N'-cyclopropyl-N'-propylethane-1,2-diamine?
The canonical SMILES for N-butan-2-yl-N'-cyclopropyl-N'-propylethane-1,2-diamine is CCCN(CCNC(C)CC)C1CC1.
What is the InChIKey of N-butan-2-yl-N'-cyclopropyl-N'-propylethane-1,2-diamine?
The InChIKey is PHGSGVUQBBKQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-4-9-14(12-6-7-12)10-8-13-11(3)5-2/h11-13H,4-10H2,1-3H3.
What are the key properties of N-butan-2-yl-N'-cyclopropyl-N'-propylethane-1,2-diamine?
N-butan-2-yl-N'-cyclopropyl-N'-propylethane-1,2-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.25, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N'-cyclopropyl-N'-propylethane-1,2-diamine is sourced from PubChem (CID 60852498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).