N-(4,4-dimethylhexan-2-yl)-N-propylcyclopropanamine

C14H29N — CID 91099667

IUPACN-(4,4-dimethylhexan-2-yl)-N-propylcyclopropanamine
SMILESCCCN(C(C)CC(C)(C)CC)C1CC1
InChIInChI=1S/C14H29N/c1-6-10-15(13-8-9-13)12(3)11-14(4,5)7-2/h12-13H,6-11H2,1-5H3
InChIKeyRRBPNWOAORCZLS-UHFFFAOYSA-N
MW211.39 g/mol
LogP4.08
Rot. Bonds7

About N-(4,4-dimethylhexan-2-yl)-N-propylcyclopropanamine

N-(4,4-dimethylhexan-2-yl)-N-propylcyclopropanamine (PubChem CID 91099667) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is N-(4,4-dimethylhexan-2-yl)-N-propylcyclopropanamine.

Molecular Properties

Compound NameN-(4,4-dimethylhexan-2-yl)-N-propylcyclopropanamine
PubChem CID91099667
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC NameN-(4,4-dimethylhexan-2-yl)-N-propylcyclopropanamine
SMILESCCCN(C(C)CC(C)(C)CC)C1CC1
InChIInChI=1S/C14H29N/c1-6-10-15(13-8-9-13)12(3)11-14(4,5)7-2/h12-13H,6-11H2,1-5H3
InChIKeyRRBPNWOAORCZLS-UHFFFAOYSA-N
XLogP4.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylhexan-2-yl)-N-propylcyclopropanamine?
The IUPAC name of N-(4,4-dimethylhexan-2-yl)-N-propylcyclopropanamine (CID 91099667) is N-(4,4-dimethylhexan-2-yl)-N-propylcyclopropanamine.
What is the SMILES notation for N-(4,4-dimethylhexan-2-yl)-N-propylcyclopropanamine?
The canonical SMILES for N-(4,4-dimethylhexan-2-yl)-N-propylcyclopropanamine is CCCN(C(C)CC(C)(C)CC)C1CC1.
What is the InChIKey of N-(4,4-dimethylhexan-2-yl)-N-propylcyclopropanamine?
The InChIKey is RRBPNWOAORCZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-6-10-15(13-8-9-13)12(3)11-14(4,5)7-2/h12-13H,6-11H2,1-5H3.
What are the key properties of N-(4,4-dimethylhexan-2-yl)-N-propylcyclopropanamine?
N-(4,4-dimethylhexan-2-yl)-N-propylcyclopropanamine has a molecular weight of 211.39 g/mol, XLogP of 4.08, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylhexan-2-yl)-N-propylcyclopropanamine is sourced from PubChem (CID 91099667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).