N-butan-2-yl-3-methylbutan-1-amine;ethane

C11H27N — CID 142990947

IUPACN-butan-2-yl-3-methylbutan-1-amine;ethane
SMILESCC.CCC(C)NCCC(C)C
InChIInChI=1S/C9H21N.C2H6/c1-5-9(4)10-7-6-8(2)3;1-2/h8-10H,5-7H2,1-4H3;1-2H3
InChIKeyCCZLDTXNRQNTQD-UHFFFAOYSA-N
MW173.34 g/mol
LogP3.45
Rot. Bonds5

About N-butan-2-yl-3-methylbutan-1-amine;ethane

N-butan-2-yl-3-methylbutan-1-amine;ethane (PubChem CID 142990947) has the molecular formula C11H27N and a molecular weight of 173.34 g/mol. Its IUPAC name is N-butan-2-yl-3-methylbutan-1-amine;ethane.

Molecular Properties

Compound NameN-butan-2-yl-3-methylbutan-1-amine;ethane
PubChem CID142990947
Molecular FormulaC11H27N
Molecular Weight173.34 g/mol
Exact Mass173.21
IUPAC NameN-butan-2-yl-3-methylbutan-1-amine;ethane
SMILESCC.CCC(C)NCCC(C)C
InChIInChI=1S/C9H21N.C2H6/c1-5-9(4)10-7-6-8(2)3;1-2/h8-10H,5-7H2,1-4H3;1-2H3
InChIKeyCCZLDTXNRQNTQD-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.34
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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N'-butan-2-ylethane-1,2-diamine;ethane
CID 142992990
(2R,3R)-3-methyl-N-(3-methylbutyl)pentan-2-amine
CID 28614527
N-butan-2-yl-3,5,5-trimethylhexan-1-amine
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5-(butan-2-ylamino)-3-methylpentan-2-one
CID 118155118
N-butan-2-yl-N',N'-dipropylethane-1,2-diamine
CID 54809596
N-butan-2-yl-N'-heptan-2-ylethane-1,2-diamine
CID 61465971
(2H)iodane;N-propylbutan-2-amine
CID 160782338
CID 172753617
CID 172753617
N'-butan-2-yl-N-ethylethane-1,2-diamine
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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-methylbutan-1-amine;ethane?
The IUPAC name of N-butan-2-yl-3-methylbutan-1-amine;ethane (CID 142990947) is N-butan-2-yl-3-methylbutan-1-amine;ethane.
What is the SMILES notation for N-butan-2-yl-3-methylbutan-1-amine;ethane?
The canonical SMILES for N-butan-2-yl-3-methylbutan-1-amine;ethane is CC.CCC(C)NCCC(C)C.
What is the InChIKey of N-butan-2-yl-3-methylbutan-1-amine;ethane?
The InChIKey is CCZLDTXNRQNTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N.C2H6/c1-5-9(4)10-7-6-8(2)3;1-2/h8-10H,5-7H2,1-4H3;1-2H3.
What are the key properties of N-butan-2-yl-3-methylbutan-1-amine;ethane?
N-butan-2-yl-3-methylbutan-1-amine;ethane has a molecular weight of 173.34 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-methylbutan-1-amine;ethane is sourced from PubChem (CID 142990947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).