N,N-ditert-butyl-2-methylpropan-1-amine

C12H27N — CID 18314178

IUPACN,N-ditert-butyl-2-methylpropan-1-amine
SMILESCC(C)CN(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H27N/c1-10(2)9-13(11(3,4)5)12(6,7)8/h10H,9H2,1-8H3
InChIKeyVJRZKKYEBUAJIJ-UHFFFAOYSA-N
MW185.35 g/mol
LogP3.54
Rot. Bonds2

About N,N-ditert-butyl-2-methylpropan-1-amine

N,N-ditert-butyl-2-methylpropan-1-amine (PubChem CID 18314178) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is N,N-ditert-butyl-2-methylpropan-1-amine.

Molecular Properties

Compound NameN,N-ditert-butyl-2-methylpropan-1-amine
PubChem CID18314178
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC NameN,N-ditert-butyl-2-methylpropan-1-amine
SMILESCC(C)CN(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H27N/c1-10(2)9-13(11(3,4)5)12(6,7)8/h10H,9H2,1-8H3
InChIKeyVJRZKKYEBUAJIJ-UHFFFAOYSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

alumane;2-methyl-N,N-bis(2-methylpropyl)propan-1-amine
CID 158194503
1-(2-methylbutan-2-yl)-1-(2-methylpropyl)hydrazine
CID 89257240
copper;N,N,N',N'-tetratert-butylethane-1,2-diamine;diperchlorate
CID 173220625
N-tert-butyl-N-ethyl-2-methylbutan-2-amine
CID 149170814
N,N,N',N'-tetrakis(2-methylpropyl)ethane-1,2-diamine
CID 18709992
N-(cyclopropylmethyl)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
CID 126597968
2,2,4,6-tetramethylheptan-3-ol
CID 89214446
1-(2-iodopropyl)-1-(2-methylpropyl)hydrazine
CID 159765313
N-ethyl-2-methyl-N-(2-methylpropyl)pentan-2-amine
CID 139372198
4-[bis(2-methylpropyl)amino]-2-methylbutan-2-ol
CID 79326254
1-N,2-N,2-trimethyl-2-N-(2-methylpropyl)propane-1,2-diamine
CID 115132514
N-tert-butyl-N'-methyl-N'-(2-methylpropyl)butane-1,4-diamine
CID 62422222

Frequently Asked Questions

What is the IUPAC name of N,N-ditert-butyl-2-methylpropan-1-amine?
The IUPAC name of N,N-ditert-butyl-2-methylpropan-1-amine (CID 18314178) is N,N-ditert-butyl-2-methylpropan-1-amine.
What is the SMILES notation for N,N-ditert-butyl-2-methylpropan-1-amine?
The canonical SMILES for N,N-ditert-butyl-2-methylpropan-1-amine is CC(C)CN(C(C)(C)C)C(C)(C)C.
What is the InChIKey of N,N-ditert-butyl-2-methylpropan-1-amine?
The InChIKey is VJRZKKYEBUAJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N/c1-10(2)9-13(11(3,4)5)12(6,7)8/h10H,9H2,1-8H3.
What are the key properties of N,N-ditert-butyl-2-methylpropan-1-amine?
N,N-ditert-butyl-2-methylpropan-1-amine has a molecular weight of 185.35 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-ditert-butyl-2-methylpropan-1-amine is sourced from PubChem (CID 18314178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).