[1-[(2,6-dimethylheptan-4-ylamino)methyl]cyclopropyl]methanol

C14H29NO — CID 81344009

IUPAC[1-[(2,6-dimethylheptan-4-ylamino)methyl]cyclopropyl]methanol
SMILESCC(C)CC(CC(C)C)NCC1(CO)CC1
InChIInChI=1S/C14H29NO/c1-11(2)7-13(8-12(3)4)15-9-14(10-16)5-6-14/h11-13,15-16H,5-10H2,1-4H3
InChIKeyLSFKHCFTIYBCDR-UHFFFAOYSA-N
MW227.39 g/mol
LogP2.81
Rot. Bonds8

About [1-[(2,6-dimethylheptan-4-ylamino)methyl]cyclopropyl]methanol

[1-[(2,6-dimethylheptan-4-ylamino)methyl]cyclopropyl]methanol (PubChem CID 81344009) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is [1-[(2,6-dimethylheptan-4-ylamino)methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[(2,6-dimethylheptan-4-ylamino)methyl]cyclopropyl]methanol
PubChem CID81344009
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name[1-[(2,6-dimethylheptan-4-ylamino)methyl]cyclopropyl]methanol
SMILESCC(C)CC(CC(C)C)NCC1(CO)CC1
InChIInChI=1S/C14H29NO/c1-11(2)7-13(8-12(3)4)15-9-14(10-16)5-6-14/h11-13,15-16H,5-10H2,1-4H3
InChIKeyLSFKHCFTIYBCDR-UHFFFAOYSA-N
XLogP2.81
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[(2,6-dimethylheptan-4-ylamino)methyl]cyclopropyl]methanol?
The IUPAC name of [1-[(2,6-dimethylheptan-4-ylamino)methyl]cyclopropyl]methanol (CID 81344009) is [1-[(2,6-dimethylheptan-4-ylamino)methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[(2,6-dimethylheptan-4-ylamino)methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[(2,6-dimethylheptan-4-ylamino)methyl]cyclopropyl]methanol is CC(C)CC(CC(C)C)NCC1(CO)CC1.
What is the InChIKey of [1-[(2,6-dimethylheptan-4-ylamino)methyl]cyclopropyl]methanol?
The InChIKey is LSFKHCFTIYBCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-11(2)7-13(8-12(3)4)15-9-14(10-16)5-6-14/h11-13,15-16H,5-10H2,1-4H3.
What are the key properties of [1-[(2,6-dimethylheptan-4-ylamino)methyl]cyclopropyl]methanol?
[1-[(2,6-dimethylheptan-4-ylamino)methyl]cyclopropyl]methanol has a molecular weight of 227.39 g/mol, XLogP of 2.81, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,6-dimethylheptan-4-ylamino)methyl]cyclopropyl]methanol is sourced from PubChem (CID 81344009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).