N'-butyl-N'-cyclopropyl-2-propan-2-ylpropane-1,3-diamine

C13H28N2 — CID 65233123

IUPACN'-butyl-N'-cyclopropyl-2-propan-2-ylpropane-1,3-diamine
SMILESCCCCN(CC(CN)C(C)C)C1CC1
InChIInChI=1S/C13H28N2/c1-4-5-8-15(13-6-7-13)10-12(9-14)11(2)3/h11-13H,4-10,14H2,1-3H3
InChIKeyRWYQBENNTROPLQ-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.48
Rot. Bonds8

About N'-butyl-N'-cyclopropyl-2-propan-2-ylpropane-1,3-diamine

N'-butyl-N'-cyclopropyl-2-propan-2-ylpropane-1,3-diamine (PubChem CID 65233123) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N'-butyl-N'-cyclopropyl-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-butyl-N'-cyclopropyl-2-propan-2-ylpropane-1,3-diamine
PubChem CID65233123
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN'-butyl-N'-cyclopropyl-2-propan-2-ylpropane-1,3-diamine
SMILESCCCCN(CC(CN)C(C)C)C1CC1
InChIInChI=1S/C13H28N2/c1-4-5-8-15(13-6-7-13)10-12(9-14)11(2)3/h11-13H,4-10,14H2,1-3H3
InChIKeyRWYQBENNTROPLQ-UHFFFAOYSA-N
XLogP2.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-N-butyl-1-N-cyclopropylpropane-1,2-diamine
CID 103934535
N'-cyclopentyl-N'-ethyl-2-propan-2-ylpropane-1,3-diamine
CID 65228278
N'-cyclopropyl-2-propan-2-yl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 65233366
N'-methyl-N'-(4-methylcyclohexyl)-2-propan-2-ylpropane-1,3-diamine
CID 65232760
N'-butyl-N'-cyclopropylethane-1,2-diamine
CID 61349574
1-amino-4-[butyl(cyclopropyl)amino]butan-2-ol
CID 64819553
N-butyl-N-(2,2-dimethoxyethyl)cyclopropanamine
CID 66222322
N'-butyl-N'-cyclopropyl-2-phenylpropane-1,3-diamine
CID 61440470
N-[2-(bromomethyl)-3,3-dimethylbutyl]-N-butylcyclopropanamine
CID 65015584
N'-butyl-N'-cyclopropyl-2-methoxybutane-1,4-diamine
CID 103152316
N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-N-butylcyclopropanamine
CID 105347297
N'-cyclopropyl-N'-hexylpropane-1,3-diamine
CID 43137504

Frequently Asked Questions

What is the IUPAC name of N'-butyl-N'-cyclopropyl-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-butyl-N'-cyclopropyl-2-propan-2-ylpropane-1,3-diamine (CID 65233123) is N'-butyl-N'-cyclopropyl-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-butyl-N'-cyclopropyl-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-butyl-N'-cyclopropyl-2-propan-2-ylpropane-1,3-diamine is CCCCN(CC(CN)C(C)C)C1CC1.
What is the InChIKey of N'-butyl-N'-cyclopropyl-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is RWYQBENNTROPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-4-5-8-15(13-6-7-13)10-12(9-14)11(2)3/h11-13H,4-10,14H2,1-3H3.
What are the key properties of N'-butyl-N'-cyclopropyl-2-propan-2-ylpropane-1,3-diamine?
N'-butyl-N'-cyclopropyl-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N'-cyclopropyl-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 65233123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).