N-buta-2,3-dienyl-2-methylbutan-2-amine

C9H17N — CID 155135195

IUPACN-buta-2,3-dienyl-2-methylbutan-2-amine
SMILESC=C=CCNC(C)(C)CC
InChIInChI=1S/C9H17N/c1-5-7-8-10-9(3,4)6-2/h7,10H,1,6,8H2,2-4H3
InChIKeyBPSNRPOMRDXRTC-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.11
Rot. Bonds4

About N-buta-2,3-dienyl-2-methylbutan-2-amine

N-buta-2,3-dienyl-2-methylbutan-2-amine (PubChem CID 155135195) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is N-buta-2,3-dienyl-2-methylbutan-2-amine.

Molecular Properties

Compound NameN-buta-2,3-dienyl-2-methylbutan-2-amine
PubChem CID155135195
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC NameN-buta-2,3-dienyl-2-methylbutan-2-amine
SMILESC=C=CCNC(C)(C)CC
InChIInChI=1S/C9H17N/c1-5-7-8-10-9(3,4)6-2/h7,10H,1,6,8H2,2-4H3
InChIKeyBPSNRPOMRDXRTC-UHFFFAOYSA-N
XLogP2.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5,5-dimethylhepta-1,2-diene
CID 57124189
(3E,5E,7Z)-5,8,9-trimethyl-N-(2-methylbutan-2-yl)undeca-3,5,7,9,10-pentaen-1-amine
CID 134371648
2-methyl-N-prop-2-enylpentan-2-amine
CID 115600901
N-(2-fluoroethyl)-2-methylbutan-2-amine
CID 80611891
N-(2-methylbutan-2-yl)hexadecan-1-amine
CID 20511004
2-methyl-N-(2-methylbutan-2-yl)pent-4-en-2-amine
CID 142811014
2-methyl-N-(3-methylbutyl)butan-2-amine
CID 27708809
1-(2-methylbutan-2-ylamino)butan-2-ol
CID 20673371
3,3-difluoro-N-propa-1,2-dienylpentan-1-amine
CID 135202513
N-but-1-en-2-yl-2-methylbutan-2-amine
CID 147849080
N-[(2,6-dichlorophenyl)methyl]-2-methylbutan-2-amine;hydrochloride
CID 17206538
3-(buta-2,3-dienylamino)propan-1-ol
CID 56981851

Frequently Asked Questions

What is the IUPAC name of N-buta-2,3-dienyl-2-methylbutan-2-amine?
The IUPAC name of N-buta-2,3-dienyl-2-methylbutan-2-amine (CID 155135195) is N-buta-2,3-dienyl-2-methylbutan-2-amine.
What is the SMILES notation for N-buta-2,3-dienyl-2-methylbutan-2-amine?
The canonical SMILES for N-buta-2,3-dienyl-2-methylbutan-2-amine is C=C=CCNC(C)(C)CC.
What is the InChIKey of N-buta-2,3-dienyl-2-methylbutan-2-amine?
The InChIKey is BPSNRPOMRDXRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-5-7-8-10-9(3,4)6-2/h7,10H,1,6,8H2,2-4H3.
What are the key properties of N-buta-2,3-dienyl-2-methylbutan-2-amine?
N-buta-2,3-dienyl-2-methylbutan-2-amine has a molecular weight of 139.24 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-buta-2,3-dienyl-2-methylbutan-2-amine is sourced from PubChem (CID 155135195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).