(6S)-6-(cycloheptylamino)-2-methylheptan-2-ol

C15H31NO — CID 7047576

IUPAC(6S)-6-(cycloheptylamino)-2-methylheptan-2-ol
SMILESC[C@@H](CCCC(C)(C)O)NC1CCCCCC1
InChIInChI=1S/C15H31NO/c1-13(9-8-12-15(2,3)17)16-14-10-6-4-5-7-11-14/h13-14,16-17H,4-12H2,1-3H3/t13-/m0/s1
InChIKeyROHUHIWEOOVMEQ-ZDUSSCGKSA-N
MW241.42 g/mol
LogP3.63
Rot. Bonds6

About (6S)-6-(cycloheptylamino)-2-methylheptan-2-ol

(6S)-6-(cycloheptylamino)-2-methylheptan-2-ol (PubChem CID 7047576) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is (6S)-6-(cycloheptylamino)-2-methylheptan-2-ol.

Molecular Properties

Compound Name(6S)-6-(cycloheptylamino)-2-methylheptan-2-ol
PubChem CID7047576
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name(6S)-6-(cycloheptylamino)-2-methylheptan-2-ol
SMILESC[C@@H](CCCC(C)(C)O)NC1CCCCCC1
InChIInChI=1S/C15H31NO/c1-13(9-8-12-15(2,3)17)16-14-10-6-4-5-7-11-14/h13-14,16-17H,4-12H2,1-3H3/t13-/m0/s1
InChIKeyROHUHIWEOOVMEQ-ZDUSSCGKSA-N
XLogP3.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-(cycloheptylamino)-2-methylheptan-2-ol?
The IUPAC name of (6S)-6-(cycloheptylamino)-2-methylheptan-2-ol (CID 7047576) is (6S)-6-(cycloheptylamino)-2-methylheptan-2-ol.
What is the SMILES notation for (6S)-6-(cycloheptylamino)-2-methylheptan-2-ol?
The canonical SMILES for (6S)-6-(cycloheptylamino)-2-methylheptan-2-ol is C[C@@H](CCCC(C)(C)O)NC1CCCCCC1.
What is the InChIKey of (6S)-6-(cycloheptylamino)-2-methylheptan-2-ol?
The InChIKey is ROHUHIWEOOVMEQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H31NO/c1-13(9-8-12-15(2,3)17)16-14-10-6-4-5-7-11-14/h13-14,16-17H,4-12H2,1-3H3/t13-/m0/s1.
What are the key properties of (6S)-6-(cycloheptylamino)-2-methylheptan-2-ol?
(6S)-6-(cycloheptylamino)-2-methylheptan-2-ol has a molecular weight of 241.42 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(cycloheptylamino)-2-methylheptan-2-ol is sourced from PubChem (CID 7047576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).