2-N-(cyclopropylmethyl)-1-N-propan-2-yl-2-N-propylbutane-1,2-diamine

C14H30N2 — CID 62430407

IUPAC2-N-(cyclopropylmethyl)-1-N-propan-2-yl-2-N-propylbutane-1,2-diamine
SMILESCCCN(CC1CC1)C(CC)CNC(C)C
InChIInChI=1S/C14H30N2/c1-5-9-16(11-13-7-8-13)14(6-2)10-15-12(3)4/h12-15H,5-11H2,1-4H3
InChIKeyANIYISPGVCJURF-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.88
Rot. Bonds9

About 2-N-(cyclopropylmethyl)-1-N-propan-2-yl-2-N-propylbutane-1,2-diamine

2-N-(cyclopropylmethyl)-1-N-propan-2-yl-2-N-propylbutane-1,2-diamine (PubChem CID 62430407) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 2-N-(cyclopropylmethyl)-1-N-propan-2-yl-2-N-propylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(cyclopropylmethyl)-1-N-propan-2-yl-2-N-propylbutane-1,2-diamine
PubChem CID62430407
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name2-N-(cyclopropylmethyl)-1-N-propan-2-yl-2-N-propylbutane-1,2-diamine
SMILESCCCN(CC1CC1)C(CC)CNC(C)C
InChIInChI=1S/C14H30N2/c1-5-9-16(11-13-7-8-13)14(6-2)10-15-12(3)4/h12-15H,5-11H2,1-4H3
InChIKeyANIYISPGVCJURF-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-tert-butyl-2-N-(cyclopropylmethyl)-2-N-propylbutane-1,2-diamine
CID 62430592
2-N-ethyl-1-N-propan-2-yl-2-N-propylbutane-1,2-diamine
CID 62420464
2-N-(cyclopropylmethyl)-1-N-methyl-2-N-propylpropane-1,2-diamine
CID 62430049
1-N-cyclopentyl-2-N-(cyclopropylmethyl)-2-N-propylpropane-1,2-diamine
CID 55088001
2-N,2-N-diethyl-1-N-propan-2-ylbutane-1,2-diamine
CID 62439025
2-N-(cyclopropylmethyl)-2-N-ethyl-3-methyl-1-N-propan-2-ylbutane-1,2-diamine
CID 63938927
3-[cyclopropylmethyl(propyl)amino]pentanethioamide
CID 61441831
1-[cyclopropylmethyl(propyl)amino]-3-(propan-2-ylamino)propan-2-ol
CID 61440788
2-[cyclopropylmethyl(pentan-3-yl)amino]ethanol
CID 62016472
1-N-butyl-2-N-(cyclopropylmethyl)-2-N-propylpropane-1,2-diamine
CID 62568153
3-N-(cyclopropylmethyl)-2-methyl-1-N-(2-methylpropyl)-3-N-propylbutane-1,3-diamine
CID 81012962
1-N-cyclopropyl-2-N-(cyclopropylmethyl)-3-methyl-2-N-propylbutane-1,2-diamine
CID 62429335

Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclopropylmethyl)-1-N-propan-2-yl-2-N-propylbutane-1,2-diamine?
The IUPAC name of 2-N-(cyclopropylmethyl)-1-N-propan-2-yl-2-N-propylbutane-1,2-diamine (CID 62430407) is 2-N-(cyclopropylmethyl)-1-N-propan-2-yl-2-N-propylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(cyclopropylmethyl)-1-N-propan-2-yl-2-N-propylbutane-1,2-diamine?
The canonical SMILES for 2-N-(cyclopropylmethyl)-1-N-propan-2-yl-2-N-propylbutane-1,2-diamine is CCCN(CC1CC1)C(CC)CNC(C)C.
What is the InChIKey of 2-N-(cyclopropylmethyl)-1-N-propan-2-yl-2-N-propylbutane-1,2-diamine?
The InChIKey is ANIYISPGVCJURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-5-9-16(11-13-7-8-13)14(6-2)10-15-12(3)4/h12-15H,5-11H2,1-4H3.
What are the key properties of 2-N-(cyclopropylmethyl)-1-N-propan-2-yl-2-N-propylbutane-1,2-diamine?
2-N-(cyclopropylmethyl)-1-N-propan-2-yl-2-N-propylbutane-1,2-diamine has a molecular weight of 226.41 g/mol, XLogP of 2.88, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclopropylmethyl)-1-N-propan-2-yl-2-N-propylbutane-1,2-diamine is sourced from PubChem (CID 62430407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).