N-tert-butyl-3,3-dimethyl-N-propylbutan-2-amine

C13H29N — CID 126624378

IUPACN-tert-butyl-3,3-dimethyl-N-propylbutan-2-amine
SMILESCCCN(C(C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H29N/c1-9-10-14(13(6,7)8)11(2)12(3,4)5/h11H,9-10H2,1-8H3
InChIKeyLQJCMDRJKMQNTK-UHFFFAOYSA-N
MW199.38 g/mol
LogP3.93
Rot. Bonds3

About N-tert-butyl-3,3-dimethyl-N-propylbutan-2-amine

N-tert-butyl-3,3-dimethyl-N-propylbutan-2-amine (PubChem CID 126624378) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is N-tert-butyl-3,3-dimethyl-N-propylbutan-2-amine.

Molecular Properties

Compound NameN-tert-butyl-3,3-dimethyl-N-propylbutan-2-amine
PubChem CID126624378
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC NameN-tert-butyl-3,3-dimethyl-N-propylbutan-2-amine
SMILESCCCN(C(C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H29N/c1-9-10-14(13(6,7)8)11(2)12(3,4)5/h11H,9-10H2,1-8H3
InChIKeyLQJCMDRJKMQNTK-UHFFFAOYSA-N
XLogP3.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.38
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-tert-butyl-2,2-dimethyl-N-propylpentan-3-amine
CID 138738863
(1S)-1-amino-1-[tert-butyl(propyl)amino]propan-2-ol
CID 87799868
N-butan-2-yl-3-methyl-N-propylpentan-3-amine
CID 138752395
N-tert-butyl-N-propan-2-ylpentan-1-amine
CID 166958417
1-[tert-butyl-[2-(diethylamino)ethyl]amino]ethanol
CID 163994835
2,3,3-trimethyl-N,N-dipropylbutan-1-amine
CID 122677496
N-tert-butyl-N-(2,2-dimethylpropyl)-2,2-dimethylpentan-3-amine
CID 146338331
2,3-dimethyl-2-N-propan-2-yl-2-N-propylbutane-1,2-diamine
CID 61352566
N-ethyl-3,3-dimethyl-N-silylbutan-2-amine
CID 173017961
azane;2-methyl-N,N-dipropylpropan-2-amine
CID 87497520
2-N-tert-butyl-2-N-ethylpropane-1,2-diamine
CID 131224561
2-[tert-butyl(ethyl)amino]propan-1-ol
CID 131224515

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3,3-dimethyl-N-propylbutan-2-amine?
The IUPAC name of N-tert-butyl-3,3-dimethyl-N-propylbutan-2-amine (CID 126624378) is N-tert-butyl-3,3-dimethyl-N-propylbutan-2-amine.
What is the SMILES notation for N-tert-butyl-3,3-dimethyl-N-propylbutan-2-amine?
The canonical SMILES for N-tert-butyl-3,3-dimethyl-N-propylbutan-2-amine is CCCN(C(C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of N-tert-butyl-3,3-dimethyl-N-propylbutan-2-amine?
The InChIKey is LQJCMDRJKMQNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N/c1-9-10-14(13(6,7)8)11(2)12(3,4)5/h11H,9-10H2,1-8H3.
What are the key properties of N-tert-butyl-3,3-dimethyl-N-propylbutan-2-amine?
N-tert-butyl-3,3-dimethyl-N-propylbutan-2-amine has a molecular weight of 199.38 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3,3-dimethyl-N-propylbutan-2-amine is sourced from PubChem (CID 126624378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).