N-tert-butyl-2,2-dimethyl-3-(4-methylazepan-1-yl)propan-1-amine

C16H34N2 — CID 55249989

IUPACN-tert-butyl-2,2-dimethyl-3-(4-methylazepan-1-yl)propan-1-amine
SMILESCC1CCCN(CC(C)(C)CNC(C)(C)C)CC1
InChIInChI=1S/C16H34N2/c1-14-8-7-10-18(11-9-14)13-16(5,6)12-17-15(2,3)4/h14,17H,7-13H2,1-6H3
InChIKeyWCYIIICQVUJFGC-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.52
Rot. Bonds4

About N-tert-butyl-2,2-dimethyl-3-(4-methylazepan-1-yl)propan-1-amine

N-tert-butyl-2,2-dimethyl-3-(4-methylazepan-1-yl)propan-1-amine (PubChem CID 55249989) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is N-tert-butyl-2,2-dimethyl-3-(4-methylazepan-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2,2-dimethyl-3-(4-methylazepan-1-yl)propan-1-amine
PubChem CID55249989
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC NameN-tert-butyl-2,2-dimethyl-3-(4-methylazepan-1-yl)propan-1-amine
SMILESCC1CCCN(CC(C)(C)CNC(C)(C)C)CC1
InChIInChI=1S/C16H34N2/c1-14-8-7-10-18(11-9-14)13-16(5,6)12-17-15(2,3)4/h14,17H,7-13H2,1-6H3
InChIKeyWCYIIICQVUJFGC-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2,2-dimethyl-3-(3-methylpiperidin-1-yl)propan-1-amine
CID 62263552
1-(2,2-dimethylpropyl)-4-methylazepane
CID 142575360
N-tert-butyl-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2,2-dimethylpropan-1-amine
CID 62270799
N-tert-butyl-3-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-amine
CID 63973765
1-(tert-butylamino)-3-(4-methylazepan-1-yl)propan-2-ol
CID 115475343
N-tert-butyl-2,2-dimethyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-amine
CID 63168780
2-(ethylamino)-2-methyl-3-(4-methylazepan-1-yl)propan-1-ol
CID 64788999
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-tert-butyl-2,2-dimethylpropan-1-amine
CID 79945391
N-tert-butyl-2-methyl-2-[(3-methylpiperidin-1-yl)methyl]butan-1-amine
CID 62262259
N-[2,2-dimethyl-3-(3-methylpiperidin-1-yl)propyl]cyclopropanamine
CID 62263551
1-(3-bromo-2,2-dimethylpropyl)-4-methylpiperidine
CID 64999964
3-(3-azaspiro[5.5]undecan-3-yl)-N-tert-butyl-2,2-dimethylpropan-1-amine
CID 63494708

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2,2-dimethyl-3-(4-methylazepan-1-yl)propan-1-amine?
The IUPAC name of N-tert-butyl-2,2-dimethyl-3-(4-methylazepan-1-yl)propan-1-amine (CID 55249989) is N-tert-butyl-2,2-dimethyl-3-(4-methylazepan-1-yl)propan-1-amine.
What is the SMILES notation for N-tert-butyl-2,2-dimethyl-3-(4-methylazepan-1-yl)propan-1-amine?
The canonical SMILES for N-tert-butyl-2,2-dimethyl-3-(4-methylazepan-1-yl)propan-1-amine is CC1CCCN(CC(C)(C)CNC(C)(C)C)CC1.
What is the InChIKey of N-tert-butyl-2,2-dimethyl-3-(4-methylazepan-1-yl)propan-1-amine?
The InChIKey is WCYIIICQVUJFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-14-8-7-10-18(11-9-14)13-16(5,6)12-17-15(2,3)4/h14,17H,7-13H2,1-6H3.
What are the key properties of N-tert-butyl-2,2-dimethyl-3-(4-methylazepan-1-yl)propan-1-amine?
N-tert-butyl-2,2-dimethyl-3-(4-methylazepan-1-yl)propan-1-amine has a molecular weight of 254.46 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2,2-dimethyl-3-(4-methylazepan-1-yl)propan-1-amine is sourced from PubChem (CID 55249989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).