(7S)-1,7-dimethyl-N-propan-2-ylazepan-4-amine;molecular hydrogen

C11H26N2 — CID 142347871

IUPAC(7S)-1,7-dimethyl-N-propan-2-ylazepan-4-amine;molecular hydrogen
SMILESCC(C)NC1CC[C@H](C)N(C)CC1.[H][H]
InChIInChI=1S/C11H24N2.H2/c1-9(2)12-11-6-5-10(3)13(4)8-7-11;/h9-12H,5-8H2,1-4H3;1H/t10-,11?;/m0./s1
InChIKeyJPMWSTLTAXYGBO-JMFXEUCVSA-N
MW186.34 g/mol
LogP2.10
Rot. Bonds2

About (7S)-1,7-dimethyl-N-propan-2-ylazepan-4-amine;molecular hydrogen

(7S)-1,7-dimethyl-N-propan-2-ylazepan-4-amine;molecular hydrogen (PubChem CID 142347871) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is (7S)-1,7-dimethyl-N-propan-2-ylazepan-4-amine;molecular hydrogen.

Molecular Properties

Compound Name(7S)-1,7-dimethyl-N-propan-2-ylazepan-4-amine;molecular hydrogen
PubChem CID142347871
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC Name(7S)-1,7-dimethyl-N-propan-2-ylazepan-4-amine;molecular hydrogen
SMILESCC(C)NC1CC[C@H](C)N(C)CC1.[H][H]
InChIInChI=1S/C11H24N2.H2/c1-9(2)12-11-6-5-10(3)13(4)8-7-11;/h9-12H,5-8H2,1-4H3;1H/t10-,11?;/m0./s1
InChIKeyJPMWSTLTAXYGBO-JMFXEUCVSA-N
XLogP2.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;7-ethyl-1-methyl-N-propan-2-ylazepan-4-amine
CID 142347793
ethane;1-methyl-N-propan-2-ylpiperidin-4-amine;1-methyl-N-propan-2-ylpyrrolidin-3-amine;molecular hydrogen
CID 142350050
ethane;1-N-methyl-4-N-propan-2-ylcyclohexane-1,4-diamine;molecular hydrogen
CID 177228203
1,4-dimethylcyclohexane;4-methyl-N-propan-2-ylcyclohexan-1-amine
CID 158687236
N-(3,3-dimethylbutan-2-yl)-1,2-dimethylpiperidin-4-amine
CID 115719082
N-propan-2-yl-4-pyrrolidin-1-ylcyclohexan-1-amine
CID 178010020
1-(3-methylbutyl)-N-propan-2-ylpiperidin-4-amine
CID 164928841
4-(4-methylpiperazin-1-yl)-N-propan-2-ylcyclohexan-1-amine
CID 67476033
(2R,4S)-N,1,2-trimethylpiperidin-4-amine
CID 94244018
(2S,4R)-N,1,2-trimethylpiperidin-4-amine
CID 94244017
1-butyl-N-propan-2-ylpiperidin-4-amine
CID 43748392
(7R)-N,1,7-tri(propan-2-yl)azepan-4-amine
CID 152916334

Frequently Asked Questions

What is the IUPAC name of (7S)-1,7-dimethyl-N-propan-2-ylazepan-4-amine;molecular hydrogen?
The IUPAC name of (7S)-1,7-dimethyl-N-propan-2-ylazepan-4-amine;molecular hydrogen (CID 142347871) is (7S)-1,7-dimethyl-N-propan-2-ylazepan-4-amine;molecular hydrogen.
What is the SMILES notation for (7S)-1,7-dimethyl-N-propan-2-ylazepan-4-amine;molecular hydrogen?
The canonical SMILES for (7S)-1,7-dimethyl-N-propan-2-ylazepan-4-amine;molecular hydrogen is CC(C)NC1CC[C@H](C)N(C)CC1.[H][H].
What is the InChIKey of (7S)-1,7-dimethyl-N-propan-2-ylazepan-4-amine;molecular hydrogen?
The InChIKey is JPMWSTLTAXYGBO-JMFXEUCVSA-N. The full InChI is InChI=1S/C11H24N2.H2/c1-9(2)12-11-6-5-10(3)13(4)8-7-11;/h9-12H,5-8H2,1-4H3;1H/t10-,11?;/m0./s1.
What are the key properties of (7S)-1,7-dimethyl-N-propan-2-ylazepan-4-amine;molecular hydrogen?
(7S)-1,7-dimethyl-N-propan-2-ylazepan-4-amine;molecular hydrogen has a molecular weight of 186.34 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-1,7-dimethyl-N-propan-2-ylazepan-4-amine;molecular hydrogen is sourced from PubChem (CID 142347871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).