N-tert-butyl-3-methoxybutan-1-amine

C9H21NO — CID 115601002

IUPACN-tert-butyl-3-methoxybutan-1-amine
SMILESCOC(C)CCNC(C)(C)C
InChIInChI=1S/C9H21NO/c1-8(11-5)6-7-10-9(2,3)4/h8,10H,6-7H2,1-5H3
InChIKeyKWGAAXGIPIKRLX-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.80
Rot. Bonds4

About N-tert-butyl-3-methoxybutan-1-amine

N-tert-butyl-3-methoxybutan-1-amine (PubChem CID 115601002) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is N-tert-butyl-3-methoxybutan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3-methoxybutan-1-amine
PubChem CID115601002
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC NameN-tert-butyl-3-methoxybutan-1-amine
SMILESCOC(C)CCNC(C)(C)C
InChIInChI=1S/C9H21NO/c1-8(11-5)6-7-10-9(2,3)4/h8,10H,6-7H2,1-5H3
InChIKeyKWGAAXGIPIKRLX-UHFFFAOYSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-4-(tert-butylamino)butan-2-ol
CID 13948169
2-fluoro-2-methyl-N-propan-2-yl-3-propan-2-yloxypropan-1-amine
CID 134581779
N-ethyl-2-fluoro-2-methyl-3-propan-2-yloxypropan-1-amine
CID 135175069
2-methyl-N-[3-(1,1,1-trifluoropropan-2-yloxy)propyl]propan-2-amine
CID 66276311
N-(2-fluoro-3-propan-2-yloxypropyl)-2-methylpropan-2-amine
CID 107446561
N-(3-ethoxy-2-fluoropropyl)-2-methylpropan-2-amine
CID 107446612
N-(2-fluoro-3-methoxypropyl)-2-methylpropan-2-amine
CID 107446614
N-(2-fluoro-3-propoxypropyl)-2-methylpropan-2-amine
CID 107446749
N-tert-butyl-3-(2,2,2-trifluoroethoxy)butan-1-amine
CID 115002349
N-(2-fluoroethyl)-3-methoxybutan-1-amine
CID 131114109
4-(Tert-butylamino)butan-2-ol
CID 13948168
(2R)-4-(tert-butylamino)butan-2-ol
CID 22883957

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-methoxybutan-1-amine?
The IUPAC name of N-tert-butyl-3-methoxybutan-1-amine (CID 115601002) is N-tert-butyl-3-methoxybutan-1-amine.
What is the SMILES notation for N-tert-butyl-3-methoxybutan-1-amine?
The canonical SMILES for N-tert-butyl-3-methoxybutan-1-amine is COC(C)CCNC(C)(C)C.
What is the InChIKey of N-tert-butyl-3-methoxybutan-1-amine?
The InChIKey is KWGAAXGIPIKRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-8(11-5)6-7-10-9(2,3)4/h8,10H,6-7H2,1-5H3.
What are the key properties of N-tert-butyl-3-methoxybutan-1-amine?
N-tert-butyl-3-methoxybutan-1-amine has a molecular weight of 159.27 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-methoxybutan-1-amine is sourced from PubChem (CID 115601002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).