3-tert-butyl-1-methyl-N-propan-2-ylazepan-4-amine;ethane

C16H36N2 — CID 142347819

IUPAC3-tert-butyl-1-methyl-N-propan-2-ylazepan-4-amine;ethane
SMILESCC.CC(C)NC1CCCN(C)CC1C(C)(C)C
InChIInChI=1S/C14H30N2.C2H6/c1-11(2)15-13-8-7-9-16(6)10-12(13)14(3,4)5;1-2/h11-13,15H,7-10H2,1-6H3;1-2H3
InChIKeyNTSUGFQTILMZTN-UHFFFAOYSA-N
MW256.48 g/mol
LogP3.77
Rot. Bonds2

About 3-tert-butyl-1-methyl-N-propan-2-ylazepan-4-amine;ethane

3-tert-butyl-1-methyl-N-propan-2-ylazepan-4-amine;ethane (PubChem CID 142347819) has the molecular formula C16H36N2 and a molecular weight of 256.48 g/mol. Its IUPAC name is 3-tert-butyl-1-methyl-N-propan-2-ylazepan-4-amine;ethane.

Molecular Properties

Compound Name3-tert-butyl-1-methyl-N-propan-2-ylazepan-4-amine;ethane
PubChem CID142347819
Molecular FormulaC16H36N2
Molecular Weight256.48 g/mol
Exact Mass256.29
IUPAC Name3-tert-butyl-1-methyl-N-propan-2-ylazepan-4-amine;ethane
SMILESCC.CC(C)NC1CCCN(C)CC1C(C)(C)C
InChIInChI=1S/C14H30N2.C2H6/c1-11(2)15-13-8-7-9-16(6)10-12(13)14(3,4)5;1-2/h11-13,15H,7-10H2,1-6H3;1-2H3
InChIKeyNTSUGFQTILMZTN-UHFFFAOYSA-N
XLogP3.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.48
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-methyl-N-propan-2-ylazepan-4-amine;ethane?
The IUPAC name of 3-tert-butyl-1-methyl-N-propan-2-ylazepan-4-amine;ethane (CID 142347819) is 3-tert-butyl-1-methyl-N-propan-2-ylazepan-4-amine;ethane.
What is the SMILES notation for 3-tert-butyl-1-methyl-N-propan-2-ylazepan-4-amine;ethane?
The canonical SMILES for 3-tert-butyl-1-methyl-N-propan-2-ylazepan-4-amine;ethane is CC.CC(C)NC1CCCN(C)CC1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-1-methyl-N-propan-2-ylazepan-4-amine;ethane?
The InChIKey is NTSUGFQTILMZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2.C2H6/c1-11(2)15-13-8-7-9-16(6)10-12(13)14(3,4)5;1-2/h11-13,15H,7-10H2,1-6H3;1-2H3.
What are the key properties of 3-tert-butyl-1-methyl-N-propan-2-ylazepan-4-amine;ethane?
3-tert-butyl-1-methyl-N-propan-2-ylazepan-4-amine;ethane has a molecular weight of 256.48 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-methyl-N-propan-2-ylazepan-4-amine;ethane is sourced from PubChem (CID 142347819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).