N'-[(2R)-3-methylidenepentan-2-yl]carbamimidoyl chloride

C7H13ClN2 — CID 163929653

IUPACN'-[(2R)-3-methylidenepentan-2-yl]carbamimidoyl chloride
SMILESC=C(CC)[C@@H](C)/N=C(/N)Cl
InChIInChI=1S/C7H13ClN2/c1-4-5(2)6(3)10-7(8)9/h6H,2,4H2,1,3H3,(H2,9,10)/t6-/m1/s1
InChIKeyRHPNJEJLXWCUPK-ZCFIWIBFSA-N
MW160.65 g/mol
LogP1.89
Rot. Bonds3

About N'-[(2R)-3-methylidenepentan-2-yl]carbamimidoyl chloride

N'-[(2R)-3-methylidenepentan-2-yl]carbamimidoyl chloride (PubChem CID 163929653) has the molecular formula C7H13ClN2 and a molecular weight of 160.65 g/mol. Its IUPAC name is N'-[(2R)-3-methylidenepentan-2-yl]carbamimidoyl chloride.

Molecular Properties

Compound NameN'-[(2R)-3-methylidenepentan-2-yl]carbamimidoyl chloride
PubChem CID163929653
Molecular FormulaC7H13ClN2
Molecular Weight160.65 g/mol
Exact Mass160.08
IUPAC NameN'-[(2R)-3-methylidenepentan-2-yl]carbamimidoyl chloride
SMILESC=C(CC)[C@@H](C)/N=C(/N)Cl
InChIInChI=1S/C7H13ClN2/c1-4-5(2)6(3)10-7(8)9/h6H,2,4H2,1,3H3,(H2,9,10)/t6-/m1/s1
InChIKeyRHPNJEJLXWCUPK-ZCFIWIBFSA-N
XLogP1.89
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.65
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-3-methylidenepentane
CID 89209317
3-methylidenepentane-2-thiol
CID 57045878
2-bromo-3-methylidenepentane
CID 88691030
1-(3-methylidenepentan-2-yl)-2-propan-2-ylcyclopropane
CID 123456520
1-amino-2-methylidenebutane-1-thiol
CID 155305632
(2S,3S)-3-methyl-4-methylidenehexan-2-ol
CID 130747070
N'-[1-(4-ethyl-6-ethylidenenon-1-en-2-yl)sulfanylethyl]carbamimidoyl chloride
CID 123432382
5-methylideneheptane-2,4-diol
CID 140987994
ethane;methanamine;2-methylbut-1-ene;2-methylpropane
CID 142055312
ethane;2-methylbutane;prop-1-en-2-amine
CID 144735709
(2E,4E)-3-chloro-5-methylhepta-2,4-dien-4-amine
CID 145473645
(4R)-4-methyl-3-methylideneoctane
CID 10820618

Frequently Asked Questions

What is the IUPAC name of N'-[(2R)-3-methylidenepentan-2-yl]carbamimidoyl chloride?
The IUPAC name of N'-[(2R)-3-methylidenepentan-2-yl]carbamimidoyl chloride (CID 163929653) is N'-[(2R)-3-methylidenepentan-2-yl]carbamimidoyl chloride.
What is the SMILES notation for N'-[(2R)-3-methylidenepentan-2-yl]carbamimidoyl chloride?
The canonical SMILES for N'-[(2R)-3-methylidenepentan-2-yl]carbamimidoyl chloride is C=C(CC)[C@@H](C)/N=C(/N)Cl.
What is the InChIKey of N'-[(2R)-3-methylidenepentan-2-yl]carbamimidoyl chloride?
The InChIKey is RHPNJEJLXWCUPK-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H13ClN2/c1-4-5(2)6(3)10-7(8)9/h6H,2,4H2,1,3H3,(H2,9,10)/t6-/m1/s1.
What are the key properties of N'-[(2R)-3-methylidenepentan-2-yl]carbamimidoyl chloride?
N'-[(2R)-3-methylidenepentan-2-yl]carbamimidoyl chloride has a molecular weight of 160.65 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2R)-3-methylidenepentan-2-yl]carbamimidoyl chloride is sourced from PubChem (CID 163929653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).